Mortiamide D

AlkaPlorer ID: AK109620

Synonym: None

IUPAC Name: (3S,6R,9R,12R,15S,18R,21R)-3,15-dibenzyl-6,9-bis[(2R)-butan-2-yl]-12-methyl-18-(2-methylpropyl)-21-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Structure

SMILES: CC[C@@H](C)[C@H]1N=C(O)[C@@H](C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](C(C)C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]([C@H](C)CC)N=C1O

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InChI: InChI=1S/C44H65N7O7/c1-10-27(7)36-43(57)48-34(24-31-20-16-13-17-21-31)41(55)49-35(26(5)6)42(56)47-32(22-25(3)4)40(54)46-33(23-30-18-14-12-15-19-30)39(53)45-29(9)38(52)50-37(28(8)11-2)44(58)51-36/h12-21,25-29,32-37H,10-11,22-24H2,1-9H3,(H,45,53)(H,46,54)(H,47,56)(H,48,57)(H,49,55)(H,50,52)(H,51,58)/t27-,28-,29-,32-,33+,34+,35-,36-,37-/m1/s1

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InChIKey: BIFRDWYFLXYEGO-CJJSJBDISA-N

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Source

Properties Information

Molecule Weight: 804.0459999999999

TPSA: 228.13

MolLogP: 8.575300000000007

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Candida albicans Candida albicans Activity nan None 10.1021/acs.jnatprod.7b00383
Enterococcus faecium Enterococcus faecium Activity nan None 10.1021/acs.jnatprod.7b00383
Homo sapiens BJ Activity nan None 10.1021/acs.jnatprod.7b00383
Homo sapiens Keratinocyte Activity nan None 10.1021/acs.jnatprod.7b00383
Homo sapiens MCF7 Activity nan None 10.1021/acs.jnatprod.7b00383
Plasmodium falciparum Plasmodium falciparum IC50 940.0 nM 10.1021/acsmedchemlett.2c00531
Plasmodium falciparum Plasmodium falciparum IC50 1310.0 nM 10.1021/acsmedchemlett.2c00531
Pseudomonas aeruginosa Pseudomonas aeruginosa Activity nan None 10.1021/acs.jnatprod.7b00383
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/acs.jnatprod.7b00383
Staphylococcus warneri Staphylococcus warneri Activity nan None 10.1021/acs.jnatprod.7b00383
None Unchecked Activity nan None 10.1021/acs.jnatprod.7b00383
None Unchecked Ratio 0.7 None 10.1021/acsmedchemlett.2c00531

Metabolism Information